Flexible,Mechanically Stable,Porous Self-Standing Microfiber Network Membranes of Covalent Organic Frameworks: Preparation Method and Characterization

Covalent organic frameworks (COFs) show advantageous characteristics, such as an ordered pore structure and a large surface area for gas storage and separation, energy storage, catalysis, and molecular separation. However, COFs usually exist as difficult-to-process powders, and preparing continuous, robust, flexible, foldable, and rollable COF membranes is still a challenge. Herein, such COF membranes with fiber morphology for the first time prepared via a newly introduced template-assisted framework process are reported. This method uses electrospun porous polymer membranes as a sacrificial large dimension template for making self-standing COF membranes. The porous COF fiber membranes, besides having high crystallinity, also show a large surface area (1153 m² g⁻¹), good mechanical stability, excellent thermal stability, and flexibility. This study opens up the possibility of preparation of large dimension COF membranes and their derivatives in a simple way and hence shows promise in technical applications in separation, catalysis, and energy in the future.     

Structural analysis and optimization of a tethered swept wing for airborne wind energy generation

In this paper, we present an aero‐structural model of a tethered swept wing for airborne wind energy generation. The carbon composite wing has neither fuselage nor actuated aerodynamic control surfaces and is controlled entirely from the ground using three separate tethers. The computational model is efficient enough to be used for weight optimisation at the initial design stage. The main load‐bearing wing component is a nontypical “D”‐shaped wing‐box, which is represented as a slender carbon composite shell and further idealised as a stack of two‐dimensional cross section models arranged along an anisotropic one‐dimensional beam model. This reduced 2+1D finite element model is then combined with a nonlinear vortex step method that determines the aerodynamic load. A bridle model is utilised to calculate the individual forces as a function of the aerodynamic load in the bridle lines that connect the main tether to the wing. The entire computational model is used to explore the influence of the bride on the D‐box structure. Considering a reference D‐box design along with a reference aerodynamic load case, the structural response is analysed for typical bridle configurations. Subsequently, an optimisation of the internal geometry and laminate fibre orientations is carried out using the structural computation models, for a fixed aerodynamic and bridle configuration. Aiming at a minimal weight of the wing structure, we find that for the typical load case of the system, an overall weight savings of approximately 20% can be achieved compared with the initial reference design.     

Influence of the Temperature on Coccolith-Containing Systems from Emiliania huxleyi Cultivations

Thermogravimetric analysis of a coccolith-containing biogenic broth showed a three-step degradation process. According to this system behavior, the biogenic broth was heated to specific temperatures and characterized in terms of its morphology, surface chemistry, and crystallinity. The elemental and organic composition of the treated samples was also evaluated and compared to the reference material. The presented results were acquired in an effort to exploit pretreatment scenarios for such a biogenic system that would improve and support a separation process.     

Discovery of Affinity-Based Probes for Btk Occupancy Assays

Bruton's tyrosine kinase (Btk) is an attractive target for the treatment of a wide array of B-cell malignancies and autoimmune diseases. Small-molecule covalent irreversible Btk inhibitors targeting Cys481 have been developed for the treatment of such diseases. In clinical trials, probe molecules are required in occupancy studies to measure the level of engagement of the protein by these covalent irreversible inhibitors. The result of this pharmacodynamic (PD) activity provides guidance for appropriate dosage selection to optimize inhibition of the drug target and correlation of target inhibition with disease treatment efficacy. This information is crucial for successful evaluation of drug candidates in clinical trials. Based on the pyridine carboxamide scaffold of a novel solvent-accessible pocket (SAP) series of covalent irreversible Btk inhibitors, we successfully developed a potent and selective affinity-based biotinylated probe 12 (2-[(4-{4-[5-(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12-tetraoxapentadecan-15-amido)pentanoyl]piperazine-1-carbonyl}phenyl)amino]-6-[1-(prop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide). Compound 12 has been used in Btk occupancy assays for preclinical studies to determine the therapeutic efficacy of Btk inhibition in two mouse lupus models driven by TLR7 activation and type I interferon.     

Buchbesprechungen

Ohne Zusammenfassung     

Numerical Study of a Modified Time-Stepping θ-Scheme for Incompressible Flow Simulations

In [Turek (1996). Int. J. Numer. Meth. Fluids 22, 987–1011], we had performed numerical comparisons for different time stepping schemes for the incompressible Navier–Stokes equations. In this paper, we present the numerical analysis in the context of the Navier–Stokes equations for a modified time-stepping θ-scheme which has been recently proposed by Glowinski [Glowinski (2003). In: Ciarlet, P. G., and Lions, J. L. (eds.), Handbook of Numerical Analysis, Vol. IX, North-Holland, Amsterdam, pp. 3–1176]. Like the well-known classical Fractional-Step-θ-scheme which had been introduced by Glowinski [Glowinski (1985). In Murman, E. M. and Abarbanel, S. S. (eds.), Progress and Supercomputing in Computational Fluid Dynamics, Birkh?user, Boston MA; Bristeau et al. (1987). Comput. Phys. Rep. 6, 73–187], too, and which is still one of the most popular time stepping schemes, with or without operator splitting techniques, this new scheme consists of 3 substeps with nonequidistant substepping to build one macro time step. However, in contrast to the Fractional-Step-θ-scheme, the second substep can be formulated as an extrapolation step for previously computed data only, and the two remaining substeps look like a Backward Euler step so that no expensive operator evaluations for the right hand side vector with older solutions, as for instance in the Crank–Nicolson scheme, have to be performed. This modified scheme is implicit, strongly A-stable and second order accurate, too, which promises some advantageous behavior, particularly in implicit CFD simulations for the nonstationary Navier–Stokes equations. Representative numerical results, based on the software package FEATFLOW [Turek (2000). FEATFLOW Finite element software for the incompressible Navier–Stokes equations: User Manual, Release 1.2, University of Dortmund] are obtained for typical flow problems with benchmark character which provide a fair rating of the solution schemes, particularly in long time simulations.Dedicated to David Gottlieb on the occasion of his 60th anniversary     

Abrasive wear of dental composite resins

Abrasive wear is a major problem in the application of dental composite resins. In this study the friction and wear behaviours of two types of dental composites: one containing relatively coarse filler particles and some microfillers (Estilux) and another containing only microfiller particles (Durafill), have been investigated by using a scratch testing machine. Experimental results show that the coefficients of friction in both composites are essentially constant for applied loads up to 20 N. The wear resistance of Durafill is better than Estilux. Under the same testing conditions, the size, shape and distribution of the filler particles are more important variables than applied load and sliding speed in controlling the wear mechanism. It is shown that for Estilux, plastic ploughing by the diamond indenter is the predominant mechanism. For Durafill, however, the formation and propagation of tensile cracks on the worn surface is the main wear mechanism. The effects of two different indenters, diamond and enamel, on the basic wear mechanisms are also discussed.     

DNA-binding preferences of bisantrene analogues: relevance to the sequence specificity of drug-mediated topoisomerase II poisoning

To elucidate structure-activity relationships for drugs that are able to poison or inhibit topoisomerase II, we investigated the thermodynamics and stereochemistry of the DNA binding of a number of anthracene derivatives bearing one or two 4, 5-dihydro-1H-imidazol-2-yl-hydrazone side chains (characteristic of bisantrene) at different positions of the planar aromatic system. An aza-bioisostere, which can be considered a bisantrene-amsacrine hybrid, was also tested. The affinity for nucleic acids in different sequence contexts was evaluated by spectroscopic techniques, using various experimental conditions. DNA-melting and DNase I footprinting experiments were also performed. The location and number of the otherwise identical side chains dramatically affected the affinity of the test compounds for the nucleic acid. In addition, the new compounds exhibited different DNA sequence preferences, depending on the locations of the dihydroimidazolyl-hydrazone groups, which indicates a major role for the side-chain position in generating specific contacts with the nucleic acid. Molecular modeling studies of the intercalative binding of the 1- or 9-substituted isomers to DNA fully supported the experimental data, because a substantially more favorable recognition of A-T steps, compared with G-C steps, was found for the 9-substituted derivative, whereas a much closer energy balance was found for the 1-substituted isomer. These results compare well with the alteration of base specificity found for the topoisomerase II-mediated DNA cleavage stimulated by the isomeric drugs. Therefore, DNA-binding specificity appears to represent an important determinant for the recognition of the topoisomerase-DNA cleavable complex by the drug, at least for poisons belonging to the amsacrine-bisantrene family.